2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium

C19H19O5+ — CID 13045733

IUPAC2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium
SMILESCOc1cc(OC)c2ccc(-c3ccc(OC)c(OC)c3)[o+]c2c1
InChIInChI=1S/C19H19O5/c1-20-13-10-17(22-3)14-6-8-15(24-18(14)11-13)12-5-7-16(21-2)19(9-12)23-4/h5-11H,1-4H3/q+1
InChIKeyBXGVBFMSUGLLQG-UHFFFAOYSA-N
MW327.36 g/mol
LogP4.42
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium

2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium (PubChem CID 13045733) has the molecular formula C19H19O5+ and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium
PubChem CID13045733
Molecular FormulaC19H19O5+
Molecular Weight327.36 g/mol
Exact Mass327.12
IUPAC Name2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium
SMILESCOc1cc(OC)c2ccc(-c3ccc(OC)c(OC)c3)[o+]c2c1
InChIInChI=1S/C19H19O5/c1-20-13-10-17(22-3)14-6-8-15(24-18(14)11-13)12-5-7-16(21-2)19(9-12)23-4/h5-11H,1-4H3/q+1
InChIKeyBXGVBFMSUGLLQG-UHFFFAOYSA-N
XLogP4.42
TPSA48.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate
CID 13045836
2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol
CID 134911918
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride
CID 15538540
[2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol
CID 140893892
4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
CID 58178080
2-(3,4,5-trimethoxyphenyl)chromenylium
CID 12986342
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydrochromen-1-ium perchlorate
CID 134909653
6-(3,4-dimethoxyphenyl)naphthalen-1-ol
CID 56648124
3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
CID 53388353
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
CID 46879082

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium (CID 13045733) is 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium is COc1cc(OC)c2ccc(-c3ccc(OC)c(OC)c3)[o+]c2c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium?
The InChIKey is BXGVBFMSUGLLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19O5/c1-20-13-10-17(22-3)14-6-8-15(24-18(14)11-13)12-5-7-16(21-2)19(9-12)23-4/h5-11H,1-4H3/q+1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium?
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium has a molecular weight of 327.36 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium is sourced from PubChem (CID 13045733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).